American Mineralogist Crystal Structure Database

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Kushiroite
 
Okamura F P, Ghose S, Ohashi H
Download am/vol59/AM59_549.pdf
American Mineralogist 59 (1974) 549-557
Structure and crystal chemistry of calcium Tschermak's pyroxene, CaAlAlSiO6
_database_code_amcsd 0000406
9.609 8.652 5.274 90 106.06 90 C2/c
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si   .28802 .09693 .21337  .5 .00132 .00148 .00652 -.00004 .00065 -.00020
Al   .28802 .09693 .21337  .5 .00132 .00148 .00652 -.00004 .00065 -.00020
Al1       0 .90934    .25     .00156 .00168 .00704       0 .00022       0
Ca2       0 .31117    .25     .00228 .00180 .00784       0 .00050       0
O1   .10519 .08210 .12264     .00242 .00259 .00838  .00065 .00122  .00042
O2   .36571 .26707 .30988     .00272 .00222 .01115 -.00020 .00139 -.00009
O3   .35524 .01881 .97977     .00182 .00302 .00947  .00005 .00092  .00004
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